2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid

C14H17F2NO2 — CID 69352048

IUPAC2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-3-13(16)11(12)8-10-4-6-17(7-5-10)9-14(18)19/h1-3,10H,4-9H2,(H,18,19)
InChIKeyGAUZTCWZUOAHDN-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid

2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid (PubChem CID 69352048) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid
PubChem CID69352048
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-3-13(16)11(12)8-10-4-6-17(7-5-10)9-14(18)19/h1-3,10H,4-9H2,(H,18,19)
InChIKeyGAUZTCWZUOAHDN-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid (CID 69352048) is 2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(Cc2c(F)cccc2F)CC1.
What is the InChIKey of 2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid?
The InChIKey is GAUZTCWZUOAHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-12-2-1-3-13(16)11(12)8-10-4-6-17(7-5-10)9-14(18)19/h1-3,10H,4-9H2,(H,18,19).
What are the key properties of 2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid?
2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid has a molecular weight of 269.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-difluorophenyl)methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 69352048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).